3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one

C24H23NO4 — CID 90356964

IUPAC3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one
SMILESCOc1cccc(CN(C)CCOc2ccc3c(c2)oc(=O)c2ccccc23)c1
InChIInChI=1S/C24H23NO4/c1-25(16-17-6-5-7-18(14-17)27-2)12-13-28-19-10-11-21-20-8-3-4-9-22(20)24(26)29-23(21)15-19/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyGSAZAEPRQPHTHJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.47
Rot. Bonds7

About 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one

3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one (PubChem CID 90356964) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one
PubChem CID90356964
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one
SMILESCOc1cccc(CN(C)CCOc2ccc3c(c2)oc(=O)c2ccccc23)c1
InChIInChI=1S/C24H23NO4/c1-25(16-17-6-5-7-18(14-17)27-2)12-13-28-19-10-11-21-20-8-3-4-9-22(20)24(26)29-23(21)15-19/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyGSAZAEPRQPHTHJ-UHFFFAOYSA-N
XLogP4.47
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one?
The IUPAC name of 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one (CID 90356964) is 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one?
The canonical SMILES for 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one is COc1cccc(CN(C)CCOc2ccc3c(c2)oc(=O)c2ccccc23)c1.
What is the InChIKey of 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one?
The InChIKey is GSAZAEPRQPHTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-25(16-17-6-5-7-18(14-17)27-2)12-13-28-19-10-11-21-20-8-3-4-9-22(20)24(26)29-23(21)15-19/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one?
3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one has a molecular weight of 389.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methoxyphenyl)methyl-methylamino]ethoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 90356964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).